USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 323 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 MET CE :methyl 154:sc= -0.521 (180deg=-1.65!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 172:sc= -0.527 (180deg=-0.751) USER MOD Single : A 142 LYS NZ :NH3+ -178:sc= 0.601 (180deg=0.596) USER MOD Single : A 150 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0.0894 K(o=0.089,f=-5.5!) USER MOD Single : A 160 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.042) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 5.736 4.816 4.132 1.00 0.00 N ATOM 82 CA ILE A 130 6.295 5.014 2.800 1.00 0.00 C ATOM 83 C ILE A 130 5.479 4.273 1.744 1.00 0.00 C ATOM 84 O ILE A 130 5.366 3.048 1.779 1.00 0.00 O ATOM 85 CB ILE A 130 7.758 4.537 2.726 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.559 5.084 3.912 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.388 4.964 1.409 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.096 4.005 4.827 1.00 0.00 C ATOM 0 HA ILE A 130 6.259 6.085 2.600 1.00 0.00 H new ATOM 0 HB ILE A 130 7.773 3.448 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.392 5.677 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.925 5.756 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.422 4.620 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.830 4.528 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.365 6.051 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.652 4.464 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.266 3.426 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.757 3.346 4.264 1.00 0.00 H new ATOM 100 N ALA A 131 4.913 5.026 0.807 1.00 0.00 N ATOM 101 CA ALA A 131 4.109 4.443 -0.260 1.00 0.00 C ATOM 102 C ALA A 131 3.784 5.476 -1.330 1.00 0.00 C ATOM 103 O ALA A 131 3.895 6.679 -1.099 1.00 0.00 O ATOM 104 CB ALA A 131 2.826 3.854 0.306 1.00 0.00 C ATOM 0 H ALA A 131 4.996 6.042 0.765 1.00 0.00 H new ATOM 0 HA ALA A 131 4.692 3.646 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.236 3.422 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.071 3.078 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.250 4.639 0.796 1.00 0.00 H new ATOM 110 N MET A 132 3.378 4.999 -2.502 1.00 0.00 N ATOM 111 CA MET A 132 3.032 5.887 -3.603 1.00 0.00 C ATOM 112 C MET A 132 1.674 6.539 -3.359 1.00 0.00 C ATOM 113 O MET A 132 0.766 5.919 -2.801 1.00 0.00 O ATOM 114 CB MET A 132 3.013 5.120 -4.927 1.00 0.00 C ATOM 115 CG MET A 132 4.153 4.125 -5.074 1.00 0.00 C ATOM 116 SD MET A 132 4.252 3.420 -6.730 1.00 0.00 S ATOM 117 CE MET A 132 4.260 4.905 -7.731 1.00 0.00 C ATOM 0 H MET A 132 3.281 4.006 -2.712 1.00 0.00 H new ATOM 0 HA MET A 132 3.791 6.667 -3.661 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.065 4.589 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 132 3.057 5.833 -5.750 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.095 4.620 -4.838 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.024 3.322 -4.349 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.762 4.703 -8.677 1.00 0.00 H new ATOM 0 HE2 MET A 132 3.234 5.219 -7.924 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.788 5.698 -7.202 1.00 0.00 H new ATOM 127 N PRO A 133 1.514 7.808 -3.773 1.00 0.00 N ATOM 128 CA PRO A 133 0.259 8.540 -3.591 1.00 0.00 C ATOM 129 C PRO A 133 -0.952 7.740 -4.054 1.00 0.00 C ATOM 130 O PRO A 133 -1.946 7.646 -3.340 1.00 0.00 O ATOM 131 CB PRO A 133 0.447 9.784 -4.460 1.00 0.00 C ATOM 132 CG PRO A 133 1.921 9.997 -4.497 1.00 0.00 C ATOM 133 CD PRO A 133 2.541 8.627 -4.445 1.00 0.00 C ATOM 0 HA PRO A 133 0.064 8.763 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.043 9.633 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.068 10.646 -4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 133 2.216 10.524 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.248 10.605 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.765 8.250 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.478 8.632 -3.888 1.00 0.00 H new ATOM 141 N SER A 134 -0.858 7.162 -5.249 1.00 0.00 N ATOM 142 CA SER A 134 -1.953 6.372 -5.800 1.00 0.00 C ATOM 143 C SER A 134 -2.220 5.147 -4.936 1.00 0.00 C ATOM 144 O SER A 134 -3.356 4.682 -4.839 1.00 0.00 O ATOM 145 CB SER A 134 -1.630 5.942 -7.232 1.00 0.00 C ATOM 146 OG SER A 134 -2.132 6.877 -8.172 1.00 0.00 O ATOM 0 H SER A 134 -0.037 7.226 -5.852 1.00 0.00 H new ATOM 0 HA SER A 134 -2.850 6.992 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.551 5.846 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.061 4.960 -7.426 1.00 0.00 H new ATOM 0 HG SER A 134 -1.911 6.580 -9.079 1.00 0.00 H new ATOM 152 N VAL A 135 -1.175 4.636 -4.295 1.00 0.00 N ATOM 153 CA VAL A 135 -1.319 3.479 -3.426 1.00 0.00 C ATOM 154 C VAL A 135 -2.155 3.845 -2.210 1.00 0.00 C ATOM 155 O VAL A 135 -3.011 3.076 -1.776 1.00 0.00 O ATOM 156 CB VAL A 135 0.048 2.937 -2.968 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.125 1.728 -2.058 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.899 2.584 -4.175 1.00 0.00 C ATOM 0 H VAL A 135 -0.226 5.003 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.818 2.696 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 135 0.556 3.715 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.854 1.363 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.701 2.014 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.652 0.940 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.864 2.202 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.392 1.822 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.053 3.474 -4.785 1.00 0.00 H new ATOM 168 N ARG A 136 -1.911 5.037 -1.679 1.00 0.00 N ATOM 169 CA ARG A 136 -2.659 5.515 -0.525 1.00 0.00 C ATOM 170 C ARG A 136 -4.125 5.688 -0.897 1.00 0.00 C ATOM 171 O ARG A 136 -5.019 5.279 -0.156 1.00 0.00 O ATOM 172 CB ARG A 136 -2.079 6.836 -0.019 1.00 0.00 C ATOM 173 CG ARG A 136 -0.898 6.660 0.922 1.00 0.00 C ATOM 174 CD ARG A 136 -1.312 6.829 2.377 1.00 0.00 C ATOM 175 NE ARG A 136 -0.428 7.744 3.095 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.510 9.070 3.014 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.431 9.639 2.245 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.329 9.830 3.703 1.00 0.00 N ATOM 0 H ARG A 136 -1.205 5.686 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.580 4.779 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.766 7.437 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.862 7.394 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.462 5.671 0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.124 7.387 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.335 7.203 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.306 5.857 2.871 1.00 0.00 H new ATOM 0 HE ARG A 136 0.294 7.343 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.080 9.059 1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.489 10.656 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.038 9.399 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.266 10.846 3.640 1.00 0.00 H new ATOM 192 N LYS A 137 -4.364 6.271 -2.069 1.00 0.00 N ATOM 193 CA LYS A 137 -5.729 6.467 -2.553 1.00 0.00 C ATOM 194 C LYS A 137 -6.366 5.113 -2.805 1.00 0.00 C ATOM 195 O LYS A 137 -7.530 4.886 -2.480 1.00 0.00 O ATOM 196 CB LYS A 137 -5.768 7.292 -3.849 1.00 0.00 C ATOM 197 CG LYS A 137 -4.552 8.165 -4.074 1.00 0.00 C ATOM 198 CD LYS A 137 -4.328 9.125 -2.915 1.00 0.00 C ATOM 199 CE LYS A 137 -4.939 10.488 -3.197 1.00 0.00 C ATOM 200 NZ LYS A 137 -6.367 10.385 -3.607 1.00 0.00 N ATOM 0 H LYS A 137 -3.637 6.614 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.279 7.018 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.873 6.612 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.656 7.924 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -3.671 7.536 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -4.676 8.731 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -4.765 8.710 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -3.259 9.235 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.862 11.111 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -4.371 10.984 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -6.783 11.337 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -6.428 9.930 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -6.888 9.817 -2.909 1.00 0.00 H new ATOM 214 N TRP A 138 -5.579 4.210 -3.383 1.00 0.00 N ATOM 215 CA TRP A 138 -6.050 2.865 -3.678 1.00 0.00 C ATOM 216 C TRP A 138 -6.518 2.178 -2.400 1.00 0.00 C ATOM 217 O TRP A 138 -7.632 1.656 -2.334 1.00 0.00 O ATOM 218 CB TRP A 138 -4.936 2.062 -4.355 1.00 0.00 C ATOM 219 CG TRP A 138 -5.213 0.595 -4.442 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.550 -0.397 -3.785 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.221 -0.046 -5.230 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.082 -1.620 -4.116 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.111 -1.430 -5.003 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.206 0.417 -6.107 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -6.949 -2.356 -5.619 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.037 -0.502 -6.719 1.00 0.00 C ATOM 227 CH2 TRP A 138 -7.905 -1.874 -6.472 1.00 0.00 C ATOM 0 H TRP A 138 -4.612 4.388 -3.656 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.898 2.923 -4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.780 2.452 -5.361 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.007 2.214 -3.806 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.726 -0.245 -3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.764 -2.521 -3.760 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.316 1.473 -6.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -6.848 -3.415 -5.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.801 -0.156 -7.399 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.571 -2.566 -6.965 1.00 0.00 H new ATOM 238 N ALA A 139 -5.670 2.203 -1.380 1.00 0.00 N ATOM 239 CA ALA A 139 -6.010 1.603 -0.101 1.00 0.00 C ATOM 240 C ALA A 139 -7.209 2.320 0.504 1.00 0.00 C ATOM 241 O ALA A 139 -8.181 1.690 0.917 1.00 0.00 O ATOM 242 CB ALA A 139 -4.818 1.660 0.844 1.00 0.00 C ATOM 0 H ALA A 139 -4.745 2.631 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.271 0.556 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.088 1.207 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.981 1.115 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.530 2.699 1.004 1.00 0.00 H new ATOM 248 N ARG A 140 -7.137 3.645 0.535 1.00 0.00 N ATOM 249 CA ARG A 140 -8.218 4.461 1.074 1.00 0.00 C ATOM 250 C ARG A 140 -9.531 4.163 0.356 1.00 0.00 C ATOM 251 O ARG A 140 -10.609 4.278 0.940 1.00 0.00 O ATOM 252 CB ARG A 140 -7.876 5.946 0.940 1.00 0.00 C ATOM 253 CG ARG A 140 -8.624 6.836 1.918 1.00 0.00 C ATOM 254 CD ARG A 140 -8.245 8.298 1.739 1.00 0.00 C ATOM 255 NE ARG A 140 -8.693 9.122 2.859 1.00 0.00 N ATOM 256 CZ ARG A 140 -9.939 9.569 3.000 1.00 0.00 C ATOM 257 NH1 ARG A 140 -10.865 9.270 2.098 1.00 0.00 N ATOM 258 NH2 ARG A 140 -10.260 10.316 4.047 1.00 0.00 N ATOM 0 H ARG A 140 -6.338 4.179 0.192 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.337 4.216 2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.804 6.078 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.099 6.271 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.698 6.716 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.403 6.524 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.163 8.382 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -8.682 8.675 0.814 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.011 9.370 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -10.624 8.695 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -11.818 9.615 2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.552 10.548 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.215 10.659 4.156 1.00 0.00 H new ATOM 272 N GLU A 141 -9.434 3.777 -0.914 1.00 0.00 N ATOM 273 CA GLU A 141 -10.616 3.460 -1.707 1.00 0.00 C ATOM 274 C GLU A 141 -11.209 2.120 -1.285 1.00 0.00 C ATOM 275 O GLU A 141 -12.425 1.984 -1.149 1.00 0.00 O ATOM 276 CB GLU A 141 -10.263 3.430 -3.195 1.00 0.00 C ATOM 277 CG GLU A 141 -10.469 4.764 -3.895 1.00 0.00 C ATOM 278 CD GLU A 141 -10.310 4.664 -5.399 1.00 0.00 C ATOM 279 OE1 GLU A 141 -9.216 4.266 -5.855 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.277 4.982 -6.122 1.00 0.00 O ATOM 0 H GLU A 141 -8.551 3.677 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.360 4.237 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.222 3.127 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.871 2.672 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.465 5.142 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.754 5.489 -3.505 1.00 0.00 H new ATOM 287 N LYS A 142 -10.344 1.133 -1.080 1.00 0.00 N ATOM 288 CA LYS A 142 -10.784 -0.198 -0.674 1.00 0.00 C ATOM 289 C LYS A 142 -10.973 -0.288 0.842 1.00 0.00 C ATOM 290 O LYS A 142 -11.419 -1.313 1.357 1.00 0.00 O ATOM 291 CB LYS A 142 -9.776 -1.252 -1.138 1.00 0.00 C ATOM 292 CG LYS A 142 -10.326 -2.194 -2.197 1.00 0.00 C ATOM 293 CD LYS A 142 -10.112 -1.641 -3.597 1.00 0.00 C ATOM 294 CE LYS A 142 -10.632 -2.599 -4.658 1.00 0.00 C ATOM 295 NZ LYS A 142 -9.823 -3.848 -4.725 1.00 0.00 N ATOM 0 H LYS A 142 -9.334 1.229 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.748 -0.388 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.893 -0.749 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.451 -1.836 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.840 -3.166 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -11.391 -2.354 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -10.619 -0.681 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.050 -1.458 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.670 -2.851 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.619 -2.106 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -10.189 -4.459 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.830 -3.609 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.884 -4.350 -3.816 1.00 0.00 H new ATOM 309 N GLY A 143 -10.629 0.784 1.554 1.00 0.00 N ATOM 310 CA GLY A 143 -10.770 0.789 2.998 1.00 0.00 C ATOM 311 C GLY A 143 -9.474 0.444 3.713 1.00 0.00 C ATOM 312 O GLY A 143 -9.380 0.573 4.933 1.00 0.00 O ATOM 0 H GLY A 143 -10.256 1.646 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.109 1.773 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.541 0.075 3.287 1.00 0.00 H new ATOM 316 N VAL A 144 -8.476 0.006 2.953 1.00 0.00 N ATOM 317 CA VAL A 144 -7.183 -0.359 3.518 1.00 0.00 C ATOM 318 C VAL A 144 -6.338 0.875 3.810 1.00 0.00 C ATOM 319 O VAL A 144 -6.382 1.861 3.075 1.00 0.00 O ATOM 320 CB VAL A 144 -6.393 -1.280 2.570 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.159 -1.827 3.270 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.275 -2.413 2.065 1.00 0.00 C ATOM 0 H VAL A 144 -8.539 -0.105 1.941 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.390 -0.888 4.448 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.068 -0.695 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.611 -2.476 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.518 -1.000 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.462 -2.397 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.699 -3.053 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.632 -3.000 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.127 -1.998 1.525 1.00 0.00 H new ATOM 332 N ASP A 145 -5.560 0.808 4.884 1.00 0.00 N ATOM 333 CA ASP A 145 -4.691 1.912 5.271 1.00 0.00 C ATOM 334 C ASP A 145 -3.231 1.557 5.009 1.00 0.00 C ATOM 335 O ASP A 145 -2.781 0.461 5.332 1.00 0.00 O ATOM 336 CB ASP A 145 -4.891 2.254 6.749 1.00 0.00 C ATOM 337 CG ASP A 145 -4.387 3.641 7.095 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.190 3.912 6.866 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.190 4.457 7.595 1.00 0.00 O ATOM 0 H ASP A 145 -5.513 -0.001 5.503 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.953 2.783 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.951 2.184 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.372 1.518 7.363 1.00 0.00 H new ATOM 344 N ILE A 146 -2.493 2.486 4.418 1.00 0.00 N ATOM 345 CA ILE A 146 -1.087 2.254 4.116 1.00 0.00 C ATOM 346 C ILE A 146 -0.294 1.961 5.389 1.00 0.00 C ATOM 347 O ILE A 146 0.648 1.170 5.382 1.00 0.00 O ATOM 348 CB ILE A 146 -0.469 3.461 3.377 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.632 2.994 2.429 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.071 4.495 4.360 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.103 2.366 1.157 1.00 0.00 C ATOM 0 H ILE A 146 -2.842 3.403 4.139 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.033 1.383 3.463 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.256 3.938 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.263 3.844 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.265 2.272 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.499 5.332 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.741 4.854 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.841 4.038 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.939 2.057 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.505 1.496 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.506 3.092 0.619 1.00 0.00 H new ATOM 363 N ARG A 147 -0.685 2.619 6.474 1.00 0.00 N ATOM 364 CA ARG A 147 -0.017 2.452 7.763 1.00 0.00 C ATOM 365 C ARG A 147 0.022 0.988 8.207 1.00 0.00 C ATOM 366 O ARG A 147 0.848 0.614 9.039 1.00 0.00 O ATOM 367 CB ARG A 147 -0.717 3.295 8.831 1.00 0.00 C ATOM 368 CG ARG A 147 -0.775 4.776 8.496 1.00 0.00 C ATOM 369 CD ARG A 147 -1.880 5.479 9.271 1.00 0.00 C ATOM 370 NE ARG A 147 -1.874 5.114 10.686 1.00 0.00 N ATOM 371 CZ ARG A 147 -2.915 5.282 11.499 1.00 0.00 C ATOM 372 NH1 ARG A 147 -4.044 5.810 11.043 1.00 0.00 N ATOM 373 NH2 ARG A 147 -2.826 4.921 12.772 1.00 0.00 N ATOM 0 H ARG A 147 -1.465 3.276 6.488 1.00 0.00 H new ATOM 0 HA ARG A 147 1.012 2.789 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.732 2.922 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.199 3.166 9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.184 5.240 8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.942 4.902 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.760 6.558 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.846 5.225 8.835 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.023 4.707 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -4.118 6.090 10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.838 5.936 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.961 4.515 13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.623 5.049 13.395 1.00 0.00 H new ATOM 387 N LEU A 148 -0.869 0.162 7.661 1.00 0.00 N ATOM 388 CA LEU A 148 -0.909 -1.253 8.029 1.00 0.00 C ATOM 389 C LEU A 148 -0.446 -2.145 6.883 1.00 0.00 C ATOM 390 O LEU A 148 -0.846 -3.304 6.791 1.00 0.00 O ATOM 391 CB LEU A 148 -2.317 -1.671 8.465 1.00 0.00 C ATOM 392 CG LEU A 148 -3.456 -1.069 7.646 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.699 -1.887 6.389 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.726 -0.985 8.477 1.00 0.00 C ATOM 0 H LEU A 148 -1.565 0.443 6.971 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.224 -1.381 8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.389 -2.757 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.455 -1.392 9.510 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.169 -0.059 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.514 -1.443 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.794 -1.898 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.963 -2.908 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.526 -0.553 7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.015 -1.985 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.549 -0.357 9.350 1.00 0.00 H new ATOM 406 N VAL A 149 0.397 -1.605 6.011 1.00 0.00 N ATOM 407 CA VAL A 149 0.903 -2.370 4.878 1.00 0.00 C ATOM 408 C VAL A 149 2.423 -2.295 4.795 1.00 0.00 C ATOM 409 O VAL A 149 2.991 -1.233 4.542 1.00 0.00 O ATOM 410 CB VAL A 149 0.298 -1.880 3.549 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.690 -2.810 2.414 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.216 -1.768 3.656 1.00 0.00 C ATOM 0 H VAL A 149 0.743 -0.647 6.066 1.00 0.00 H new ATOM 0 HA VAL A 149 0.604 -3.406 5.041 1.00 0.00 H new ATOM 0 HB VAL A 149 0.696 -0.888 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.255 -2.450 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.776 -2.834 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.321 -3.814 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.623 -1.420 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.637 -2.744 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.474 -1.059 4.443 1.00 0.00 H new ATOM 422 N GLN A 150 3.076 -3.433 5.006 1.00 0.00 N ATOM 423 CA GLN A 150 4.531 -3.502 4.953 1.00 0.00 C ATOM 424 C GLN A 150 5.018 -3.521 3.508 1.00 0.00 C ATOM 425 O GLN A 150 5.393 -4.569 2.982 1.00 0.00 O ATOM 426 CB GLN A 150 5.031 -4.746 5.690 1.00 0.00 C ATOM 427 CG GLN A 150 6.544 -4.883 5.697 1.00 0.00 C ATOM 428 CD GLN A 150 7.010 -6.168 6.354 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.287 -7.164 6.378 1.00 0.00 O ATOM 430 NE2 GLN A 150 8.224 -6.152 6.891 1.00 0.00 N ATOM 0 H GLN A 150 2.620 -4.321 5.216 1.00 0.00 H new ATOM 0 HA GLN A 150 4.932 -2.615 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.673 -4.717 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.597 -5.632 5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.913 -4.849 4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.980 -4.032 6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.789 -5.304 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 150 8.591 -6.988 7.346 1.00 0.00 H new ATOM 439 N GLY A 151 5.006 -2.355 2.869 1.00 0.00 N ATOM 440 CA GLY A 151 5.445 -2.258 1.489 1.00 0.00 C ATOM 441 C GLY A 151 6.846 -2.803 1.283 1.00 0.00 C ATOM 442 O GLY A 151 7.717 -2.633 2.135 1.00 0.00 O ATOM 0 H GLY A 151 4.700 -1.475 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.749 -2.803 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.415 -1.215 1.174 1.00 0.00 H new ATOM 446 N THR A 152 7.061 -3.459 0.147 1.00 0.00 N ATOM 447 CA THR A 152 8.366 -4.031 -0.169 1.00 0.00 C ATOM 448 C THR A 152 8.958 -3.386 -1.420 1.00 0.00 C ATOM 449 O THR A 152 9.775 -3.993 -2.114 1.00 0.00 O ATOM 450 CB THR A 152 8.247 -5.543 -0.370 1.00 0.00 C ATOM 451 OG1 THR A 152 7.591 -5.836 -1.591 1.00 0.00 O ATOM 452 CG2 THR A 152 7.484 -6.235 0.739 1.00 0.00 C ATOM 0 H THR A 152 6.350 -3.608 -0.569 1.00 0.00 H new ATOM 0 HA THR A 152 9.033 -3.832 0.670 1.00 0.00 H new ATOM 0 HB THR A 152 9.271 -5.916 -0.373 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.526 -6.807 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.436 -7.305 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 152 7.992 -6.069 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.473 -5.830 0.793 1.00 0.00 H new ATOM 460 N GLY A 153 8.542 -2.156 -1.703 1.00 0.00 N ATOM 461 CA GLY A 153 9.044 -1.455 -2.870 1.00 0.00 C ATOM 462 C GLY A 153 10.437 -0.897 -2.655 1.00 0.00 C ATOM 463 O GLY A 153 10.600 0.169 -2.061 1.00 0.00 O ATOM 0 H GLY A 153 7.867 -1.633 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.056 -2.135 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.364 -0.641 -3.121 1.00 0.00 H new ATOM 467 N LYS A 154 11.443 -1.621 -3.139 1.00 0.00 N ATOM 468 CA LYS A 154 12.835 -1.201 -3.002 1.00 0.00 C ATOM 469 C LYS A 154 13.190 -0.924 -1.540 1.00 0.00 C ATOM 470 O LYS A 154 13.675 -1.808 -0.834 1.00 0.00 O ATOM 471 CB LYS A 154 13.104 0.039 -3.860 1.00 0.00 C ATOM 472 CG LYS A 154 13.648 -0.284 -5.241 1.00 0.00 C ATOM 473 CD LYS A 154 15.063 -0.836 -5.168 1.00 0.00 C ATOM 474 CE LYS A 154 16.071 0.251 -4.828 1.00 0.00 C ATOM 475 NZ LYS A 154 16.685 0.040 -3.489 1.00 0.00 N ATOM 0 H LYS A 154 11.319 -2.505 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 154 13.468 -2.017 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.178 0.605 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.813 0.683 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 154 12.998 -1.010 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 154 13.639 0.616 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.109 -1.624 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.326 -1.291 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 154 16.853 0.271 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 154 15.579 1.223 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 17.366 0.802 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 15.942 0.046 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 17.177 -0.876 -3.473 1.00 0.00 H new ATOM 489 N ASN A 155 12.943 0.304 -1.089 1.00 0.00 N ATOM 490 CA ASN A 155 13.237 0.686 0.288 1.00 0.00 C ATOM 491 C ASN A 155 12.153 0.187 1.243 1.00 0.00 C ATOM 492 O ASN A 155 12.287 0.309 2.461 1.00 0.00 O ATOM 493 CB ASN A 155 13.369 2.206 0.399 1.00 0.00 C ATOM 494 CG ASN A 155 12.194 2.937 -0.220 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.753 2.607 -1.320 1.00 0.00 O ATOM 496 ND2 ASN A 155 11.681 3.937 0.486 1.00 0.00 N ATOM 0 H ASN A 155 12.541 1.050 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 155 14.182 0.222 0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.454 2.484 1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.290 2.524 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 155 10.889 4.466 0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 155 12.078 4.176 1.394 1.00 0.00 H new ATOM 503 N GLY A 156 11.081 -0.375 0.687 1.00 0.00 N ATOM 504 CA GLY A 156 9.999 -0.880 1.511 1.00 0.00 C ATOM 505 C GLY A 156 8.732 -0.059 1.376 1.00 0.00 C ATOM 506 O GLY A 156 7.908 -0.023 2.292 1.00 0.00 O ATOM 0 H GLY A 156 10.944 -0.489 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.789 -1.913 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.314 -0.886 2.554 1.00 0.00 H new ATOM 510 N ARG A 157 8.569 0.600 0.233 1.00 0.00 N ATOM 511 CA ARG A 157 7.388 1.422 -0.011 1.00 0.00 C ATOM 512 C ARG A 157 6.228 0.568 -0.515 1.00 0.00 C ATOM 513 O ARG A 157 6.399 -0.267 -1.402 1.00 0.00 O ATOM 514 CB ARG A 157 7.705 2.531 -1.019 1.00 0.00 C ATOM 515 CG ARG A 157 7.935 2.027 -2.436 1.00 0.00 C ATOM 516 CD ARG A 157 8.013 3.176 -3.429 1.00 0.00 C ATOM 517 NE ARG A 157 8.956 2.902 -4.510 1.00 0.00 N ATOM 518 CZ ARG A 157 8.953 3.541 -5.678 1.00 0.00 C ATOM 519 NH1 ARG A 157 8.060 4.494 -5.918 1.00 0.00 N ATOM 520 NH2 ARG A 157 9.845 3.229 -6.607 1.00 0.00 N ATOM 0 H ARG A 157 9.238 0.581 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 157 7.094 1.881 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.883 3.247 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.593 3.068 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.859 1.449 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.126 1.353 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.024 3.360 -3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.313 4.085 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 157 9.659 2.178 -4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.372 4.739 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 157 8.062 4.981 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.534 2.499 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 157 9.842 3.719 -7.502 1.00 0.00 H new ATOM 534 N VAL A 158 5.047 0.783 0.058 1.00 0.00 N ATOM 535 CA VAL A 158 3.863 0.031 -0.335 1.00 0.00 C ATOM 536 C VAL A 158 3.394 0.433 -1.729 1.00 0.00 C ATOM 537 O VAL A 158 3.041 1.588 -1.969 1.00 0.00 O ATOM 538 CB VAL A 158 2.707 0.240 0.664 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.534 -0.666 0.321 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.180 -0.008 2.088 1.00 0.00 C ATOM 0 H VAL A 158 4.886 1.470 0.794 1.00 0.00 H new ATOM 0 HA VAL A 158 4.144 -1.022 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 158 2.372 1.275 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.728 -0.504 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.179 -0.437 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.854 -1.707 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.351 0.144 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.543 -1.032 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.985 0.685 2.330 1.00 0.00 H new ATOM 550 N LEU A 159 3.391 -0.529 -2.644 1.00 0.00 N ATOM 551 CA LEU A 159 2.963 -0.280 -4.015 1.00 0.00 C ATOM 552 C LEU A 159 1.612 -0.932 -4.284 1.00 0.00 C ATOM 553 O LEU A 159 1.104 -1.690 -3.457 1.00 0.00 O ATOM 554 CB LEU A 159 4.003 -0.814 -5.005 1.00 0.00 C ATOM 555 CG LEU A 159 5.462 -0.630 -4.582 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.332 -1.720 -5.189 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.965 0.747 -4.990 1.00 0.00 C ATOM 0 H LEU A 159 3.681 -1.490 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 159 2.865 0.797 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.819 -1.877 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.855 -0.319 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 159 5.521 -0.708 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.367 -1.575 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.984 -2.695 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.269 -1.672 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 159 7.004 0.861 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.894 0.854 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.358 1.514 -4.509 1.00 0.00 H new ATOM 569 N LYS A 160 1.033 -0.638 -5.445 1.00 0.00 N ATOM 570 CA LYS A 160 -0.260 -1.202 -5.819 1.00 0.00 C ATOM 571 C LYS A 160 -0.259 -2.718 -5.643 1.00 0.00 C ATOM 572 O LYS A 160 -1.284 -3.318 -5.317 1.00 0.00 O ATOM 573 CB LYS A 160 -0.599 -0.844 -7.268 1.00 0.00 C ATOM 574 CG LYS A 160 -2.074 -0.553 -7.492 1.00 0.00 C ATOM 575 CD LYS A 160 -2.522 -0.978 -8.881 1.00 0.00 C ATOM 576 CE LYS A 160 -2.610 0.210 -9.826 1.00 0.00 C ATOM 577 NZ LYS A 160 -1.300 0.904 -9.967 1.00 0.00 N ATOM 0 H LYS A 160 1.438 -0.013 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.019 -0.776 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.016 0.028 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.296 -1.666 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.667 -1.076 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.260 0.513 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -1.822 -1.712 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.494 -1.466 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.949 -0.129 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.356 0.914 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -1.366 1.620 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.053 1.366 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -0.565 0.211 -10.213 1.00 0.00 H new ATOM 591 N GLU A 161 0.903 -3.327 -5.855 1.00 0.00 N ATOM 592 CA GLU A 161 1.046 -4.769 -5.715 1.00 0.00 C ATOM 593 C GLU A 161 0.963 -5.177 -4.248 1.00 0.00 C ATOM 594 O GLU A 161 0.365 -6.199 -3.910 1.00 0.00 O ATOM 595 CB GLU A 161 2.377 -5.231 -6.312 1.00 0.00 C ATOM 596 CG GLU A 161 2.456 -5.066 -7.821 1.00 0.00 C ATOM 597 CD GLU A 161 3.882 -5.082 -8.335 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.805 -4.818 -7.535 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.077 -5.359 -9.537 1.00 0.00 O ATOM 0 H GLU A 161 1.759 -2.843 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 161 0.230 -5.248 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.188 -4.668 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.534 -6.280 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.892 -5.866 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.982 -4.127 -8.105 1.00 0.00 H new ATOM 606 N ASP A 162 1.563 -4.369 -3.380 1.00 0.00 N ATOM 607 CA ASP A 162 1.554 -4.644 -1.950 1.00 0.00 C ATOM 608 C ASP A 162 0.129 -4.614 -1.411 1.00 0.00 C ATOM 609 O ASP A 162 -0.290 -5.515 -0.684 1.00 0.00 O ATOM 610 CB ASP A 162 2.418 -3.627 -1.204 1.00 0.00 C ATOM 611 CG ASP A 162 3.899 -3.934 -1.319 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.286 -5.095 -1.070 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.671 -3.013 -1.659 1.00 0.00 O ATOM 0 H ASP A 162 2.061 -3.519 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 162 1.968 -5.639 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.224 -2.630 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.133 -3.614 -0.152 1.00 0.00 H new ATOM 618 N ILE A 163 -0.617 -3.577 -1.779 1.00 0.00 N ATOM 619 CA ILE A 163 -2.000 -3.442 -1.339 1.00 0.00 C ATOM 620 C ILE A 163 -2.829 -4.623 -1.831 1.00 0.00 C ATOM 621 O ILE A 163 -3.515 -5.283 -1.050 1.00 0.00 O ATOM 622 CB ILE A 163 -2.634 -2.131 -1.842 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.750 -0.935 -1.477 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.029 -1.959 -1.259 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.578 -0.744 0.014 1.00 0.00 C ATOM 0 H ILE A 163 -0.288 -2.821 -2.379 1.00 0.00 H new ATOM 0 HA ILE A 163 -1.993 -3.423 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.716 -2.180 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.769 -1.066 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.183 -0.030 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.464 -1.028 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.657 -2.796 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.968 -1.929 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.941 0.121 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.552 -0.582 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.117 -1.633 0.444 1.00 0.00 H new ATOM 637 N ASP A 164 -2.746 -4.894 -3.131 1.00 0.00 N ATOM 638 CA ASP A 164 -3.477 -6.006 -3.726 1.00 0.00 C ATOM 639 C ASP A 164 -3.147 -7.304 -2.996 1.00 0.00 C ATOM 640 O ASP A 164 -3.998 -8.180 -2.844 1.00 0.00 O ATOM 641 CB ASP A 164 -3.136 -6.136 -5.213 1.00 0.00 C ATOM 642 CG ASP A 164 -4.373 -6.167 -6.089 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.130 -5.174 -6.084 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.585 -7.185 -6.781 1.00 0.00 O ATOM 0 H ASP A 164 -2.181 -4.359 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.545 -5.810 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.503 -5.301 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.558 -7.047 -5.372 1.00 0.00 H new ATOM 649 N ALA A 165 -1.906 -7.409 -2.532 1.00 0.00 N ATOM 650 CA ALA A 165 -1.461 -8.587 -1.801 1.00 0.00 C ATOM 651 C ALA A 165 -2.025 -8.570 -0.387 1.00 0.00 C ATOM 652 O ALA A 165 -2.345 -9.614 0.181 1.00 0.00 O ATOM 653 CB ALA A 165 0.058 -8.652 -1.772 1.00 0.00 C ATOM 0 H ALA A 165 -1.191 -6.691 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.830 -9.477 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.374 -9.538 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.440 -8.703 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.451 -7.761 -1.282 1.00 0.00 H new ATOM 659 N PHE A 166 -2.155 -7.368 0.169 1.00 0.00 N ATOM 660 CA PHE A 166 -2.694 -7.199 1.511 1.00 0.00 C ATOM 661 C PHE A 166 -4.121 -7.732 1.575 1.00 0.00 C ATOM 662 O PHE A 166 -4.521 -8.356 2.558 1.00 0.00 O ATOM 663 CB PHE A 166 -2.667 -5.720 1.904 1.00 0.00 C ATOM 664 CG PHE A 166 -3.282 -5.438 3.245 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.658 -5.380 3.393 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.481 -5.230 4.355 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.224 -5.121 4.625 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.042 -4.970 5.591 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.416 -4.915 5.726 1.00 0.00 C ATOM 0 H PHE A 166 -1.893 -6.497 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.077 -7.762 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.633 -5.374 1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.193 -5.142 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.295 -5.539 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.407 -5.271 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.298 -5.079 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.407 -4.810 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.857 -4.711 6.690 1.00 0.00 H new ATOM 679 N LEU A 167 -4.883 -7.478 0.516 1.00 0.00 N ATOM 680 CA LEU A 167 -6.264 -7.926 0.439 1.00 0.00 C ATOM 681 C LEU A 167 -6.341 -9.382 -0.009 1.00 0.00 C ATOM 682 O LEU A 167 -7.250 -10.115 0.382 1.00 0.00 O ATOM 683 CB LEU A 167 -7.042 -7.040 -0.533 1.00 0.00 C ATOM 684 CG LEU A 167 -7.324 -5.621 -0.039 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.905 -5.646 1.367 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.055 -4.780 -0.083 1.00 0.00 C ATOM 0 H LEU A 167 -4.563 -6.961 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.706 -7.851 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.485 -6.978 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -7.992 -7.524 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.060 -5.166 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.098 -4.626 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.838 -6.210 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.196 -6.120 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.274 -3.773 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.296 -5.233 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.686 -4.732 -1.107 1.00 0.00 H new ATOM 698 N ALA A 168 -5.382 -9.794 -0.832 1.00 0.00 N ATOM 699 CA ALA A 168 -5.343 -11.163 -1.336 1.00 0.00 C ATOM 700 C ALA A 168 -4.406 -12.031 -0.503 1.00 0.00 C ATOM 701 O ALA A 168 -3.796 -12.969 -1.015 1.00 0.00 O ATOM 702 CB ALA A 168 -4.917 -11.174 -2.797 1.00 0.00 C ATOM 0 H ALA A 168 -4.622 -9.200 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.346 -11.581 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.892 -12.201 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.628 -10.597 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.925 -10.732 -2.890 1.00 0.00 H new